모르폴린-3,4-디카르복실산4-TERT-부틸에스테르

4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid

HCID 2760133CAS 212650-43-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCOCC1C(=O)O
InChIKey: KVXXEKIGMOEPSA-UHFFFAOYSA-N
분자식: C10H17NO5
평균 분자량: 231.25 g/mol
단동위원소 질량: 231.11067264

이름 및 식별자

우선 이름: 4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid
IUPAC: 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
현지명: 모르폴린-3,4-디카르복실산4-TERT-부틸에스테르
영어명: Morpholine-3,4-dicarboxylic acid 4-tert-butyl ester
분자식: C10H17NO5
분자량: 231.25

이름 및 동의어

212650-43-64-(tert-butoxycarbonyl)morpholine-3-carboxylic acid4-[(tert-butoxy)carbonyl]morpholine-3-carboxylic acidDTXSID103750344-((tert-butoxy)carbonyl)morpholine-3-carboxylic acidRefChem:516944DTXCID90326064672-335-64-boc-3-morpholinecarboxylic acidMorpholine-3,4-dicarboxylic acid 4-tert-butyl esterN-Boc-morpholine-3-carboxylic acid4-N-Boc-3-morpholinecarboxylic acid

이름 더 보기

모르폴린-3,4-디카르복실산4-TERT-부틸에스테르4-Boc-morpholine-3-carboxylic acid(R/S)-BOC-3-CARBOXYMORPHOLINEN-Boc-Morpholine-2-carboxylic acid4-N-Boc-Morpholine-3-carboxylic acidMorpholine-3,4-dicarboxylic acid 4-tert-butyl4-tert-Butoxymethyl-morpholine-3-carboxylic acid

4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic AcidMFCD02683057N-BOC-MORPHOLINE-3CARBOXYLIC ACID4-Boc-3-morpholinecarboxylicAcid4-tert-butoxycarbonylmorpholine-3-carboxylic acid((3S)-4-[(tert-butoxy)carbonyl]morpholine-3-carboxylic acid)SCHEMBL154453KVXXEKIGMOEPSA-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 212650-43-6
PubChem CID: 2760133
DTXSID: DTXSID10375034
EC Number: 672-335-6

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 76.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 283

물리화학적 성질

끓는 점: 369 ℃ · 369℃
밀도: 1.23 · 1.230
인화점: 177 ℃ · 177℃
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 3.53 · 3.53±0.20(Predicted)
InChI: InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-6-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey: KVXXEKIGMOEPSA-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCOCC1C(O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

risk_code: 36/37/38-51-36
hazard_code: Xi
safety_code: 26-36/37/39

화학 및 산업

응용 분야 · 1건

용도Morpholine-3,4-dicarboxylic acid 4-tert-butyl ester is an organic heterocyclic compound that can be used in decarboxylation arylation reactions to prepare other compounds. It is also used as a synthetic intermediate component in the preparation of substances such as thienopyrrole compounds, pyridine derivatives and cyclised acetamide derivatives.

상·하류 제품 정보

상류 원료

하류 제품

tert-부틸3-시아노모르폴린-4-카르복실레이트

공급사50 곳

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